==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-05 2BD9 . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.LIU,C.J.SCHOFIELD,R.C.WILMOUTH . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 2 6 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.1 -11.3 33.4 35.7 2 17 A V B 3 +A 182 0A 11 180,-2.5 180,-1.7 1,-0.2 134,-0.1 -0.773 360.0 10.7 -88.7 137.2 -14.8 34.2 34.5 3 18 A G T 3 S+ 0 0 43 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.792 99.4 139.0 67.1 29.4 -16.1 37.8 35.2 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.209 47.2-131.5 -92.1-176.5 -12.6 39.0 36.2 5 20 A T E -B 147 0B 89 142,-2.6 142,-2.8 -2,-0.1 2,-0.2 -0.939 37.3 -91.0-130.9 153.9 -10.7 42.2 35.6 6 21 A E E -B 146 0B 119 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.504 47.5-126.1 -65.9 131.5 -7.1 42.4 34.4 7 22 A A - 0 0 2 138,-3.1 2,-0.2 -2,-0.2 138,-0.1 -0.489 24.8-101.9 -73.3 151.0 -4.8 42.5 37.5 8 23 A Q > - 0 0 76 -2,-0.1 3,-2.2 1,-0.1 4,-0.4 -0.547 38.8-110.9 -66.0 139.3 -2.3 45.3 38.0 9 24 A R T 3 S+ 0 0 110 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.776 114.4 37.5 -38.1 -46.9 1.2 44.1 37.1 10 25 A N T 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.0 -2,-0.0 0.276 91.8 100.2 -96.6 12.9 2.6 44.2 40.6 11 26 A S S < S+ 0 0 52 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.875 87.3 22.3 -73.3 -45.1 -0.6 43.0 42.4 12 27 A W > + 0 0 32 -4,-0.4 3,-1.9 -3,-0.2 -1,-0.2 -0.658 64.2 169.7-128.7 70.3 -0.2 39.3 43.2 13 28 A P T 3 S+ 0 0 39 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.547 73.9 59.6 -73.9 -5.7 3.6 38.6 43.2 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 2,-0.3 0.518 80.6 108.7 -90.4 -12.0 3.3 35.0 44.7 15 30 A Q E < -I 33 0C 5 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.494 50.9-172.9 -64.5 129.4 1.1 33.9 41.7 16 31 A I E -I 32 0C 0 16,-2.3 16,-0.7 -2,-0.3 2,-0.5 -0.861 23.3-129.2-120.3 161.3 2.9 31.5 39.4 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.5 -2,-0.3 2,-0.5 -0.954 17.9-154.3-103.1 122.2 2.2 29.9 36.0 18 33 A L E +IJ 30 55C 0 12,-3.2 11,-3.0 -2,-0.5 12,-1.8 -0.887 23.1 179.6 -96.5 127.7 2.7 26.2 35.9 19 34 A Q E -IJ 28 54C 10 35,-2.6 35,-2.5 -2,-0.5 2,-0.3 -0.908 19.1-147.1-133.6 149.2 3.4 25.1 32.3 20 35 A Y E -IJ 27 53C 71 7,-2.2 7,-2.6 -2,-0.3 2,-0.3 -0.898 32.6 -99.4-119.4 153.1 4.2 21.9 30.5 21 36 A R E -I 26 0C 55 31,-1.8 2,-0.4 -2,-0.3 31,-0.3 -0.520 40.7-178.7 -73.0 129.1 6.4 21.2 27.5 22 36AA S E > -I 25 0C 51 3,-3.9 3,-2.4 -2,-0.3 2,-0.3 -0.934 57.4 -53.1-137.6 105.1 4.3 21.0 24.4 23 36BA G T 3 S- 0 0 80 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.476 121.8 -22.3 63.9-122.2 6.2 20.3 21.1 24 36CA S T 3 S+ 0 0 129 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.165 134.4 56.2 -98.2 15.2 9.0 22.9 20.9 25 37 A S E < S-I 22 0C 64 -3,-2.4 -3,-3.9 -5,-0.0 2,-0.4 -0.721 79.8-104.5-138.3-175.2 7.1 25.2 23.3 26 38 A W E -I 21 0C 94 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.939 22.8-158.8-121.6 138.8 5.4 25.6 26.7 27 39 A A E -I 20 0C 28 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.2 -0.969 21.2-123.5-119.9 128.7 1.7 25.7 27.5 28 40 A H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.469 39.5 159.6 -65.1 131.6 0.2 27.2 30.7 29 41 A T E + 0 0 43 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.643 56.4 1.9-120.5 -29.0 -1.9 24.5 32.5 30 42 A a E -I 18 0C 4 -12,-1.8 -12,-3.2 157,-0.1 -1,-0.4 -0.960 59.3-119.1-155.2 159.9 -2.3 25.6 36.1 31 43 A G E +I 17 0C 1 157,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.350 30.1 174.8 -93.3-174.8 -1.6 28.3 38.7 32 44 A G E -I 16 0C 0 -16,-0.7 -16,-2.3 10,-0.1 2,-0.4 -0.941 27.8-113.8-176.6 171.2 0.3 27.9 41.9 33 45 A T E -IK 15 41C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.994 21.7-129.9-126.5 126.0 1.7 30.0 44.8 34 46 A L E + K 0 40C 1 -20,-2.7 78,-3.0 -2,-0.4 6,-0.2 -0.611 35.6 165.2 -71.4 118.1 5.4 30.6 45.5 35 47 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.632 66.7 14.9-111.9 -21.9 5.7 29.7 49.2 36 48 A R E > S- K 0 39C 91 3,-1.9 3,-1.3 74,-0.1 -1,-0.4 -0.914 88.4-101.3-136.9 167.8 9.5 29.4 49.4 37 49 A Q T 3 S+ 0 0 84 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.763 128.4 27.5 -62.3 -22.3 12.2 30.6 47.0 38 50 A N T 3 S+ 0 0 52 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.142 113.4 77.4-124.6 18.8 12.4 27.0 45.8 39 51 A W E < -KL 36 98C 5 -3,-1.3 -4,-2.6 59,-0.2 -3,-1.9 -0.994 49.8-172.7-133.4 134.9 8.8 25.7 46.6 40 52 A V E -KL 34 97C 0 57,-2.4 57,-2.9 -2,-0.4 2,-0.5 -0.953 14.4-146.5-121.4 137.0 5.5 26.1 44.9 41 53 A M E +KL 33 96C 0 -8,-2.7 -8,-2.4 -2,-0.4 55,-0.2 -0.911 35.2 146.0-100.2 130.5 2.1 25.1 46.2 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.4 -2,-0.5 2,-0.3 -0.730 50.6 -69.2-145.3-170.0 -0.4 23.9 43.6 43 55 A A > - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.5 -0.719 33.0-132.1 -91.9 145.5 -3.2 21.4 43.2 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 0.899 106.2 59.9 -57.5 -41.3 -2.5 17.7 43.0 45 57 A H G > S+ 0 0 54 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.710 93.6 66.9 -67.6 -15.9 -4.7 17.2 39.9 46 58 A a G < S+ 0 0 10 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.737 108.4 37.7 -70.2 -24.1 -2.4 19.7 38.0 47 59 A V G < S+ 0 0 14 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.121 81.1 104.7-122.3 20.7 0.4 17.3 38.2 48 60 A D < + 0 0 61 -3,-0.6 2,-0.1 -4,-0.2 -1,-0.1 0.917 68.0 80.3 -58.0 -46.9 -1.4 13.9 37.7 49 61 A R S S- 0 0 54 -4,-0.3 2,-2.5 -3,-0.1 0, 0.0 -0.443 90.8-122.3 -71.1 138.7 -0.1 13.7 34.1 50 62 A E + 0 0 200 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.380 64.1 141.9 -76.4 62.2 3.5 12.6 33.7 51 63 A L - 0 0 79 -2,-2.5 2,-0.7 -4,-0.1 -31,-0.0 -0.516 61.4-101.6-103.6 168.5 4.6 15.8 31.9 52 64 A T - 0 0 93 -31,-0.3 -31,-1.8 -2,-0.2 2,-0.3 -0.846 47.9-163.4 -88.4 118.5 7.6 18.0 31.9 53 65 A F E -J 20 0C 12 -2,-0.7 21,-1.6 -33,-0.2 2,-0.3 -0.793 17.2-179.2-108.9 146.4 6.8 21.0 34.1 54 65AA R E -JM 19 73C 49 -35,-2.5 -35,-2.6 -2,-0.3 2,-0.4 -0.956 19.3-136.3-132.1 158.0 8.3 24.4 34.5 55 66 A V E -JM 18 72C 0 17,-2.9 17,-2.2 -2,-0.3 2,-0.5 -0.928 9.3-157.4-112.9 137.3 7.3 27.3 36.8 56 67 A V E -JM 17 71C 0 -39,-2.5 -39,-2.2 -2,-0.4 3,-0.3 -0.976 12.0-175.3-117.0 119.7 7.1 30.9 35.7 57 68 A V E + M 0 70C 1 13,-2.0 13,-2.0 -2,-0.5 52,-0.1 -0.763 68.8 29.1-106.1 155.7 7.4 33.6 38.4 58 69 A G S S+ 0 0 6 50,-0.5 2,-0.2 -43,-0.5 10,-0.2 0.746 88.0 150.5 69.1 20.0 7.0 37.3 37.8 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.577 16.4 150.1 -86.6 149.8 4.6 36.5 34.9 60 71 A H + 0 0 6 1,-0.3 85,-1.3 4,-0.2 2,-0.6 0.439 69.2 38.5-138.9 -55.6 1.8 38.8 33.7 61 72 A N B > -O 144 0D 16 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.924 64.3-160.1-102.7 116.8 1.2 38.4 30.0 62 73 A L T 3 S+ 0 0 33 81,-3.0 -1,-0.1 -2,-0.6 82,-0.1 0.786 89.0 46.1 -63.6 -26.2 1.6 34.8 28.9 63 74 A N T 3 S+ 0 0 111 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.301 110.5 47.0-108.6 7.7 2.1 35.7 25.3 64 75 A Q S < S- 0 0 121 -3,-1.0 2,-0.5 79,-0.2 -3,-0.3 -0.991 87.3 -93.9-148.1 154.4 4.6 38.6 25.5 65 76 A N + 0 0 128 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.571 33.3 179.4 -68.5 116.6 7.9 39.5 27.1 66 77 A N - 0 0 26 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.605 38.1-128.5 -90.3 -15.2 7.1 41.4 30.4 67 78 A G S S+ 0 0 63 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.598 94.9 77.2 75.6 13.8 10.8 41.9 31.3 68 79 A T + 0 0 24 -10,-0.2 -9,-0.1 40,-0.0 40,-0.1 0.460 63.6 114.2-129.3 -11.6 10.0 40.5 34.8 69 80 A E - 0 0 25 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.327 40.6-166.7 -71.3 145.5 9.7 36.6 34.3 70 81 A Q E -M 57 0C 44 -13,-2.0 -13,-2.0 -2,-0.1 2,-0.5 -0.997 12.3-151.3-126.3 138.2 12.1 34.0 35.8 71 82 A Y E +M 56 0C 114 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.917 19.3 173.1-114.4 126.4 11.8 30.4 34.4 72 83 A V E -M 55 0C 8 -17,-2.2 -17,-2.9 -2,-0.5 -2,-0.0 -0.997 27.0-121.5-140.1 136.2 12.7 27.4 36.5 73 84 A G E -M 54 0C 31 -2,-0.4 27,-2.6 -19,-0.2 2,-0.6 -0.294 27.4-115.5 -68.4 155.3 12.4 23.7 36.2 74 85 A V E +N 99 0C 31 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.862 32.2 178.6 -96.1 118.3 10.4 21.4 38.5 75 86 A Q E + 0 0 111 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.809 64.2 12.1 -92.0 -34.3 12.9 19.1 40.3 76 87 A K E -N 98 0C 86 22,-1.4 22,-2.4 2,-0.0 2,-0.5 -0.995 59.4-153.9-148.8 137.2 10.6 17.1 42.6 77 88 A I E -N 97 0C 73 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.969 8.8-173.4-115.5 125.1 6.8 16.7 42.9 78 89 A V E -N 96 0C 31 18,-3.0 18,-2.5 -2,-0.5 2,-0.3 -0.923 7.7-171.3-120.5 104.1 5.2 15.8 46.3 79 90 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.642 41.0 -89.6 -87.9 147.4 1.5 15.1 46.1 80 91 A H > - 0 0 23 14,-2.2 3,-1.8 12,-0.3 -1,-0.1 -0.386 36.8-129.1 -54.9 131.7 -0.5 14.7 49.2 81 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.699 106.1 52.8 -60.4 -19.0 -0.4 10.9 50.0 82 93 A Y T 3 S+ 0 0 160 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.487 79.5 123.0 -94.3 -3.2 -4.2 10.7 50.3 83 94 A W < - 0 0 27 -3,-1.8 2,-0.5 9,-0.2 9,-0.1 -0.352 41.5-167.9 -62.5 132.7 -4.9 12.4 47.0 84 95 A N > - 0 0 70 7,-0.5 3,-2.0 3,-0.4 6,-0.2 -0.964 15.3-155.8-127.1 113.9 -7.1 10.2 44.7 85 96 A T T 3 S+ 0 0 74 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.775 96.1 55.1 -54.7 -34.2 -7.3 11.3 41.1 86 97 A D T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.396 113.1 44.8 -77.7 0.3 -10.7 9.4 40.7 87 98 A D X + 0 0 71 -3,-2.0 3,-1.3 4,-0.1 -3,-0.4 -0.510 52.7 157.3-151.1 65.8 -12.1 11.4 43.6 88 99 A V G > S+ 0 0 42 -3,-0.4 3,-1.9 1,-0.2 5,-0.2 0.857 79.7 64.8 -62.0 -31.8 -11.4 15.2 43.6 89 99AA A G 3 S+ 0 0 25 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.627 88.0 67.5 -68.9 -15.6 -14.4 15.6 45.9 90 99BA A G < S- 0 0 32 -3,-1.3 -1,-0.3 1,-0.3 2,-0.2 0.675 102.7-142.8 -70.3 -20.0 -12.6 13.5 48.6 91 100 A G < + 0 0 3 -3,-1.9 -7,-0.5 -4,-0.3 -1,-0.3 -0.577 65.7 122.5 91.2-152.4 -10.2 16.5 48.8 92 101 A Y + 0 0 77 -2,-0.2 2,-2.1 1,-0.2 -12,-0.3 0.692 36.8 156.6 61.3 23.7 -6.4 16.4 49.4 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.490 31.8 108.9 -81.0 78.5 -6.1 18.3 46.2 94 103 A I + 0 0 0 -2,-2.1 -14,-2.2 -51,-0.3 2,-0.3 -0.995 37.9 174.6-155.7 139.5 -2.6 19.8 47.0 95 104 A A E -LN 42 79C 0 -53,-2.4 -53,-2.7 -2,-0.3 2,-0.4 -0.983 19.9-141.2-147.0 152.1 0.9 19.3 45.9 96 105 A L E -LN 41 78C 0 -18,-2.5 -18,-3.0 -2,-0.3 2,-0.5 -0.967 13.3-157.6-114.2 136.8 4.3 20.9 46.5 97 106 A L E -LN 40 77C 0 -57,-2.9 -57,-2.4 -2,-0.4 2,-0.6 -0.973 7.1-148.7-116.6 120.2 6.9 21.4 43.7 98 107 A R E -LN 39 76C 56 -22,-2.4 -23,-2.7 -2,-0.5 -22,-1.4 -0.818 22.5-134.1 -86.3 122.5 10.5 21.8 44.6 99 108 A L E - 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